Search MNXref
 Feedback

4,5-dihydrovomifoliol

PropertiesImage
MNX_IDMNXM117750 Image of MNXM117750
referencechebi:138758
formulaC13H22O3
global charge0
mol weight226.316
InChIKeyIHDJYDVWNNFPHR-AATRIKPKSA-N
InChIInChI=1S/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9-10,14,16H,7-8H2,1-4H3/b6-5+
SMILESCC(O)/C=C/C1(O)C(C)CC(=O)CC1(C)C
MNX internals
InChI (mnx)InChI=1/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9-10,14,16H,7-8H2,1-4H3/b6-5+/t9?,10?,13? Image of MNXM117750
SMILES (mnx)[CH3:1][CH:9]1[CH2:7][C:11](=[O:15])[CH2:8][C:12]([CH3:3])([CH3:4])[C:13]1(/[CH:6]=[CH:5]/[CH:10]([CH3:2])[OH:14])[OH:16]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:138758
chebi:138758
IHDJYDVWNNFPHR-AATRIKPKSA-N
4,5-dihydrovomifoliol
hmdb:HMDB0040615
IHDJYDVWNNFPHR-AATRIKPKSA-N
4,5-Dihydrovomifoliol
(5-chloro-2-HYDROXYBENZYLIDENE)malononitrile
(5-chloro-2-Hydroxybenzylidene)-malononitrile
2-(5-chloro-2-Hydroxybenzylidene)malononitrile
4-hydroxy-4-[(1E)-3-hydroxybut-1-en-1-yl]-3,3,5-trimethylcyclohexan-1-one
5-chloro-2-Hydroxybenzylidenemalononitrile

hmdb:HMDB40615
secondary/obsolete/fantasy identifier